Base information
| Cat. No. | |
| CAS No. | 698981-69-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.178 |
| Exact Mass | 169.074 |
| XLogP3 | 1.2332 |
| Mr | 42.6685 |
| PSA | 62.47 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@H](NCc1ccco1)C |
